Molecule

ID:92076

General Information
Structure
MolImage
Molecular Formula
C₂HCl₃O₂
Molecular Mass
163.38714
Exact Mass
161.90421231
Charge
0
InChI
InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey
YNJBWRMUSHSURL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cl)(Cl)Cl
Isomeric Smiles
OC(=O)C(Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
1.7156028
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8084882
LogD (pH = 7.4)
-1.9973965
Log P
1.5290427
Molar Refractivity
28.1583
Polarizability
10.98023
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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